CID 11820952

2,4-dichloro-benzoic acid (amino-methylsulfanyl-methylene)-hydrazide

Structural Information

Molecular Formula
C9H9Cl2N3OS
SMILES
CS/C(=N/NC(=O)C1=C(C=C(C=C1)Cl)Cl)/N
InChI
InChI=1S/C9H9Cl2N3OS/c1-16-9(12)14-13-8(15)6-3-2-5(10)4-7(6)11/h2-4H,1H3,(H2,12,14)(H,13,15)
InChIKey
HAVWCPLMPDIIKP-UHFFFAOYSA-N
Compound name
methyl N'-[(2,4-dichlorobenzoyl)amino]carbamimidothioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

276.98434 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.99162 157.8
[M+Na]+ 299.97356 165.8
[M-H]- 275.97706 162.2
[M+NH4]+ 295.01816 175.4
[M+K]+ 315.94750 160.3
[M+H-H2O]+ 259.98160 153.2
[M+HCOO]- 321.98254 169.7
[M+CH3COO]- 335.99819 202.3
[M+Na-2H]- 297.95901 158.4
[M]+ 276.98379 160.7
[M]- 276.98489 160.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.